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2-(4-chlorophenylthio)benzoic acid is a chemical compound with the molecular formula C13H9ClOS. It is a derivative of benzoic acid and contains a chlorine-substituted phenyl group attached to a thioether group.

6469-85-8

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6469-85-8 Usage

Uses

Used in Pharmaceutical Industry:
2-(4-chlorophenylthio)benzoic acid is used as an intermediate in the synthesis of pharmaceuticals for its ability to be incorporated into various drug molecules, contributing to the development of new medications.
Used in Agrochemical Industry:
2-(4-chlorophenylthio)benzoic acid is used as an intermediate in the synthesis of agrochemicals, playing a role in the creation of compounds that can protect crops and enhance agricultural productivity.
Used in Materials Science:
2-(4-chlorophenylthio)benzoic acid is used in the field of materials science for its potential applications in developing new materials with specific properties, such as improved stability or reactivity.
Used in Drug Discovery:
2-(4-chlorophenylthio)benzoic acid is used in drug discovery processes to identify and develop new therapeutic agents, leveraging its chemical structure to create novel compounds with potential medicinal value.
Used in Antimicrobial Agents Development:
2-(4-chlorophenylthio)benzoic acid is used in the development of new antimicrobial agents due to its antimicrobial and antifungal properties, offering a promising avenue for creating effective treatments against infectious diseases.

Check Digit Verification of cas no

The CAS Registry Mumber 6469-85-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,4,6 and 9 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 6469-85:
(6*6)+(5*4)+(4*6)+(3*9)+(2*8)+(1*5)=128
128 % 10 = 8
So 6469-85-8 is a valid CAS Registry Number.
InChI:InChI=1/C13H9ClO2S/c14-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)13(15)16/h1-8H,(H,15,16)

6469-85-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-chlorophenyl)sulfanylbenzoic acid

1.2 Other means of identification

Product number -
Other names 2-carboxyphenyl 4-chlorophenyl sulphide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6469-85-8 SDS

6469-85-8Relevant academic research and scientific papers

COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF

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Paragraph 0360-0363, (2021/03/23)

The present invention relates to a compound for an organic electronic element. To the present invention, an organic electronic element having high luminous efficiency, low driving voltage, and high heat resistance can be provided, and color purity and lifetime of the organic electronic element can be improved.

Catalyst-Controlled Stereoselective Barton–Kellogg Olefination

Schmidt, Tanno A.,Sparr, Christof

supporting information, p. 23911 - 23916 (2021/10/08)

Overcrowded alkenes are expeditiously prepared by the versatile Barton–Kellogg olefination and have remarkable applications as functional molecules owing to their unique stereochemical features. The induced stereodynamics thereby enable the controlled motion of molecular switches and motors, while the high configurational stability prevents undesired isomeric scrambling. Bistricyclic aromatic enes are prototypical overcrowded alkenes with outstanding stereochemical properties, but their stereocontrolled preparation was thus far only feasible in stereospecific reactions and with chiral auxiliaries. Herein we report that direct catalyst control is achieved by a stereoselective Barton–Kellogg olefination with enantio- and diastereocontrol for various bistricyclic aromatic enes. Using Rh2(S-PTAD)4 as catalyst, several diazo compounds were selectively coupled with a thioketone to give one of the four anti-folded overcrowded alkene stereoisomers upon reduction. Complete stereodivergence was reached by catalyst control in combination with distinct thiirane reductions to provide all four stereoisomers with e.r. values of up to 99:1. We envision that this strategy will enable the synthesis of topologically unique overcrowded alkenes for functional materials, catalysis, energy- and electron transfer, and bioactive compounds.

Novel synthesis method of chlorolucanthone

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Paragraph 0022; 0029; 0032; 0034; 0037; 0039; 0042; 0044, (2020/10/21)

The invention discloses a novel synthesis method of chlorolucanthone, and belongs to the technical field of chemical engineering. The method comprises the following steps: firstly, adding a sodium hydrosulfide solution into a hydrogen sulfide generator, then dropwise adding an acid into the hydrogen sulfide generator, and guiding generated gas into a preheated pipeline reactor; pumping preheated p-dichlorobenzene into the pipeline reactor, reacting the p-dichlorobenzene with hydrogen sulfide gas, cooling a reaction product to obtain liquid and gas, and rectifying and purifying the liquid to obtain mercaptochlorobenzene; secondly, adding a reaction solvent and an alkali into a flask, stirring, adding mercaptochlorobenzene and o-chlorobenzoic acid, carrying out a reflux reaction, and carrying out aftertreatment after the reaction is finished so as to obtain an intermediate 2-carboxyl-4'-chlorodiphenyl sulfide; and finally, adding 2-carboxyl-4'-chlorodiphenyl sulfide into concentrated sulfuric acid, carrying out an intramolecular cyclization dehydration reaction, and purifying after the reaction is ended so as to obtain the target product. The method disclosed by the invention is simple and convenient to operate, mild in reaction condition, clean and environment-friendly, and high in product yield and purity.

Carboxyl radical-assisted 1,5-aryl migration through Smiles rearrangement

Hossian, Asik,Jana, Ranjan

supporting information, p. 9768 - 9779 (2016/10/31)

We report herein, a silver(i)-catalyzed Smiles rearrangement of 2-aryloxy- or 2-(arylthio)benzoic acids to provide aryl-2-hydroxybenzoate or aryl-2-mercaptobenzoate dimer, respectively, through 1,5-aryl migration from oxygen or sulfur to carboxylate oxygen. Mechanistically, the aryl ether moiety undergoes an intramolecular ipso attack by the carboxyl radical followed by a C-O or C-S bond cleavage. Aryl-2-mercaptobenzoates undergo oxidative dimerization through a thiol moiety in situ.

A mild and facile synthesis of aryl and alkenyl sulfides via copper-catalyzed deborylthiolation of organoborons with thiosulfonates

Yoshida, Suguru,Sugimura, Yasuyuki,Hazama, Yuki,Nishiyama, Yoshitake,Yano, Takahisa,Shimizu, Shigeomi,Hosoya, Takamitsu

, p. 16613 - 16616 (2015/11/25)

An efficient deborylthiolation of aryl- and alkenylborons with thiosulfonates has been achieved under mild conditions using a copper catalyst. All steps of the experimental process were free from unpleasant odors. The mild reaction conditions as well as ready availability of boron compounds and thiosulfonates enabled easy access to an array of sulfides, including those bearing sensitive functional groups.

Recyclable heterogeneous supported copper-catalyzed coupling of thiols with aryl halides: base-controlled differential arylthiolation of bromoiodobenzenes

Bhadra, Sukalyan,Sreedhar, Bojja,Ranu, Brindaban C.

experimental part, p. 2369 - 2378 (2009/12/28)

Alumina-supported copper sulfate efficiently catalyzes the 5-arylation of aromatic, heteroaromatic and aliphatic thiols with aryl as well as heteroaryl halides under aerobic, ligand-free conditions. This protocol provides an easy access to a variety of thioethers as well as unsymmetrical bis-thioethers by base-controlled differential coupling of thiols with iodo- and bromo-substituents in an aromatic halide. The catalyst is inexpensive, non-air sensitive, environmentally friendly and recyclable.

Process for the preparation of 2-arylthiobenzoic acids

-

, (2008/06/13)

A process for the preparation of 2-arylthiobenzoic acids which are useful as intermediates in producing thioxanthene compounds comprises reacting by reacting lithium 2-chlorobenzoate of the formula STR1 with lithium thiophenoxide of the formula STR2 wherein R is alkyl having 1 to 4 carbon atoms, alkoxy having 1 to 4 carbon atoms, trifluoromethyl, hydrogen, fluorine, chlorine or nitro and n is 1, 2, 3 or 4.

Preparation of 2-chloro-thioxanthone

-

, (2008/06/13)

The invention relates to 2-(4'-chloro-phenylthio)-benzonitrile, to its process of preparation and to its use for preparing 2-chlorothioxanthone. 2-Chloro-thioxanthone prepared from the compound of the invention is useful as a photoinitiator for the reticulation of synthetic resins and as an intermediate for preparing pharmaceuticals.

Method of preparing aryloxybenzoic and arylthiobenzoic acids

-

, (2008/06/13)

Novel process for preparing aryloxybenzoic and arylthiobenzoic acids by reacting 2-chlorobenzoic acid with substituted phenols or thiophenols in the presence of an alkali metal iodide and a base.

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